ChemSpider 2D Image | 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione | C27H27N3O5S

2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID3859552

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]chinolin-4,6(1H,7H)-dion [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-5-(3,4,5-triméthoxyphényl)-5,8,9,10-tétrahydropyrimido[4,5-b]quinoléine-4,6(1H,7H)-dione [French] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione [ACD/IUPAC Name]
2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Pyrimido[4,5-b]quinoline-4,6(1H,7H)-dione, 5,8,9,10-tetrahydro-2-[(phenylmethyl)thio]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
pyrimido[4,5-b]quinoline-4,6(3H,7H)-dione, 5,8,9,10-tetrahydro-2-[(phenylmethyl)thio]-5-(3,4,5-trimethoxyphenyl)-
2-(benzylthio)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3h,7h)-dione
2-(benzylthio)-5-(3,4,5-trimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,5H)-dione
2-benzylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
537043-32-6 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 685.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.6±3.0 kJ/mol
    Flash Point: 368.6±34.3 °C
    Index of Refraction: 1.673
    Molar Refractivity: 136.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 3.53
    ACD/BCF (pH 5.5): 280.85
    ACD/KOC (pH 5.5): 1957.71
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 286.45
    ACD/KOC (pH 7.4): 1996.75
    Polar Surface Area: 124 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 364.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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